CID 209893

2,2'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-ethylpyridinium) diiodide

Structural Information

Molecular Formula
C34H32N6O2
SMILES
CCN1C=CC=CC1=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CC=CN5CC
InChI
InChI=1S/C34H32N6O2/c1-3-39-23-7-5-9-31(39)35-27-15-19-29(20-16-27)37-33(41)25-11-13-26(14-12-25)34(42)38-30-21-17-28(18-22-30)36-32-10-6-8-24-40(32)4-2/h5-24H,3-4H2,1-2H3,(H,37,41)(H,38,42)
InChIKey
PRDIQRNTURJCJP-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-ethylpyridin-2-ylidene)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.25867 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.26595 238.4
[M+Na]+ 579.24789 241.5
[M-H]- 555.25139 252.6
[M+NH4]+ 574.29249 238.3
[M+K]+ 595.22183 233.7
[M+H-H2O]+ 539.25593 221.9
[M+HCOO]- 601.25687 261.7
[M+CH3COO]- 615.27252 243.7
[M+Na-2H]- 577.23334 241.3
[M]+ 556.25812 237.8
[M]- 556.25922 237.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.